SCHEMBL9466532

SCHEMBL9466532

CCC(=O)N(c1ccccc1F)C1(C(=O)OC)CCN(CCN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 13/20 0.54
OPRD1 P41143 4/20 0.54
OPRK1 P41145 2/20 0.54
CACNA1C Q13936 1/20 0.54
OPRL1 P41146 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9466272 0.89 OPRM1 (0.54) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL9780089 0.87 OPRM1 (0.71) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL9466239 0.86 OPRM1 (0.41) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL9780091 0.85 OPRM1 (0.54) OPRM1OPRD1OPRK1
SCHEMBL9467323 0.83 OPRD1 (0.77) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL9466400 0.81 OPRD1 (0.56) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL6850215 0.75 OPRM1 (0.45) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL9466393 0.73 DRD2 (0.41) OPRM1OPRD1OPRK1CACNA1C
SCHEMBL9473188 0.73 OPRM1 (0.71) OPRM1OPRD1OPRK1
SCHEMBL23805134 0.73 OPRM1 (0.78) OPRM1OPRD1OPRK1CACNA1C

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP claimed
US-RE34201-E Analgesics ANAQUEST, INC. (US) 1993-03-23 US disclosed
US-5053411-A Analgesics ANAQUEST, INC. (US) 1991-10-01 US disclosed
EP-0396282-A2 N-aryl-N-[4-(heterocyclicalkyl) piperidinyl]amides and pharmaceutical compositions and methods employing such compounds BOC, INC. (US) 1990-11-07 EP disclosed